1-[(R)-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-pyridin-2-yl-methyl]azepan-1-ium

Systemtic Name: 1-[(R)-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-pyridin-2-yl-methyl]azepan-1-ium Openeye Name: 1-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-pyridyl)methyl]azepan-1-ium CAS Name: 1-[(R)-(1-cyclopentyl-5-tetrazolyl)-(2-pyridinyl)methyl]azepan-1-ium IUPAC Name: 1-[(R)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]azepan-1-ium Traditional Name: 1-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-pyridyl)methyl]azepan-1-ium Formula: C18H27N6+ MolecularWeight: 327.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=CC=N2)C3=NN=NN3C4CCCC4

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=NN=NN3C4CCCC4

InChI

InChI=1S/C18H26N6/c1-2-8-14-23(13-7-1)17(16-11-5-6-12-19-16)18-20-21-22-24(18)15-9-3-4-10-15/h5-6,11-12,15,17H,1-4,7-10,13-14H2/p+1/t17-/m1/s1